WS0110
 OpenBabel09292510192D

 85 91  0  0  1  0  0  0  0  0999 V2000
  585.8300  225.9400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  640.6000  228.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  611.9100  228.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  573.6400  233.5000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  598.3700  233.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  633.4800  240.8400    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  661.7100  241.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  498.8200  248.7400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  573.6400  248.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  598.3700  248.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  611.9100  252.8000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  640.6700  253.4700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  654.3700  253.5100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  486.5700  255.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  511.5100  255.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  536.3600  255.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  561.2200  255.6900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  585.8500  255.6000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  240.0000  270.5400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  264.8500  270.5400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  338.4800  269.3000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  363.2300  269.8300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  388.0800  269.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  413.2800  270.4600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  462.1500  270.4800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  487.0100  270.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  511.1800  270.0400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  138.1600  274.6700    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  152.1300  277.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  252.4200  277.7200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  326.7500  277.0500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  424.8700  277.6500    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  449.7300  277.6500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  350.8000  277.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  474.5800  277.6500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  499.2000  277.8600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  130.8400  287.6300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  401.1400  291.6000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  177.8600  292.0700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  202.7100  292.0700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  227.5700  292.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  252.4200  292.0700    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  302.1300  292.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  326.9900  292.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  351.0300  291.3500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  425.3000  291.6000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  140.5900  298.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  165.4300  299.2400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  190.2900  299.2400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  215.1400  299.2400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  264.8500  299.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  289.7100  299.2400    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  339.3000  299.4400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  413.2800  299.1100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  289.7100  313.5900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  302.1300  320.7700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  302.1300  335.1200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  314.5600  356.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  616.7700  215.2600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  633.4200  216.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  657.3800  227.8400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  523.9300  248.5100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  548.7900  248.5100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  619.1300  240.8400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  675.9800  242.6800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  474.1400  248.5100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  388.0800  255.4800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  162.9000  267.9600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  437.3000  270.4800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  536.3600  270.0400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  302.1300  277.7200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  400.5100  277.0100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  227.5700  277.7200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  375.6600  277.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  277.2800  292.0700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  153.0000  292.0700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  314.5600  299.2400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  240.0000  299.2400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  138.0700  312.2900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  264.8500  313.5900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  314.5600  342.2900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  302.1300  363.8200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  326.9900  363.8200    0.0000 N   0  0  0  0  0  1  0  0  0  0  0  0
  132.1500  261.5800    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  118.2400  257.8600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  2 60  2  0  0  0  0
  2 61  1  0  0  0  0
  3  5  1  0  0  0  0
  3 59  2  0  0  0  0
  3 64  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 64  1  0  0  0  0
  7 13  1  0  0  0  0
  7 61  1  0  0  0  0
  7 65  2  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  2  0  0  0  0
 11 64  1  0  0  0  0
 12 13  1  0  0  0  0
 14 26  1  0  0  0  0
 14 66  1  0  0  0  0
 15 27  2  0  0  0  0
 15 62  1  0  0  0  0
 16 62  1  0  0  0  0
 16 63  1  0  0  0  0
 16 70  2  0  0  0  0
 17 63  1  0  0  0  0
 19 30  1  0  0  0  0
 20 30  1  0  0  0  0
 21 31  1  0  0  0  0
 21 34  2  0  0  0  0
 22 34  1  0  0  0  0
 22 74  1  0  0  0  0
 23 67  2  0  0  0  0
 23 72  1  0  0  0  0
 23 74  1  0  0  0  0
 24 32  1  0  0  0  0
 24 72  1  0  0  0  0
 25 33  1  0  0  0  0
 25 35  1  0  0  0  0
 26 35  1  0  0  0  0
 26 36  2  0  0  0  0
 27 36  1  0  0  0  0
 28 29  1  0  0  0  0
 28 37  1  0  0  0  0
 28 84  1  0  0  0  0
 29 68  2  0  0  0  0
 29 76  1  0  0  0  0
 31 44  2  0  0  0  0
 32 46  1  0  0  0  0
 32 69  1  6  0  0  0
 33 69  1  0  0  0  0
 34 45  1  0  0  0  0
 37 47  1  0  0  0  0
 38 54  1  0  0  0  0
 38 72  1  0  0  0  0
 39 48  1  0  0  0  0
 39 49  1  0  0  0  0
 40 49  1  0  0  0  0
 40 50  1  0  0  0  0
 41 50  1  0  0  0  0
 41 73  2  0  0  0  0
 41 78  1  0  0  0  0
 42 30  1  6  0  0  0
 42 51  1  0  0  0  0
 42 78  1  0  0  0  0
 43 52  1  0  0  0  0
 43 71  2  0  0  0  0
 43 77  1  0  0  0  0
 44 53  1  0  0  0  0
 44 77  1  0  0  0  0
 45 53  2  0  0  0  0
 46 54  1  0  0  0  0
 47 76  1  0  0  0  0
 47 79  2  0  0  0  0
 48 76  1  0  0  0  0
 51 75  1  0  0  0  0
 51 80  2  0  0  0  0
 52 55  1  1  0  0  0
 52 75  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 81  1  0  0  0  0
 58 81  1  0  0  0  0
 58 82  2  0  0  0  0
 58 83  1  0  0  0  0
 84 85  1  0  0  0  0
M  END
>  <Formula>
C59ClN11O13S

$$$$
